Endeavour
Structure Solution from Powder Diffraction

Endeavour is a powerful software for crystal structure solution, both from
powder as well as single crystal diffraction data. Based on more than ten years of
experience, the software is capable of solving many small to medium sized structures
more or less on its own. The innovative concept combined with the elaborate user
interface makes the solution of crystal structures an almost routine process, especially
for inorganic but also for many organic compounds.
Even unexperienced users can prepare and perform the
structure solution calculation in a few steps: Simply follow the integrated "wizard"
to enter the required data (unit cell parameters, chemical composition, diffraction
data), and let Endeavour do the rest. The structure solution is performed using a
special variant of the "direct-space" approach, namely a combined global optimization
of the difference between calculated and observed diffraction data and of the potential
energy of the system. Due to the additional usage of the potential energy, the method
is much less sensitive to low-quality diffraction data than e.g. direct methods.